2-acetamido-3-(2-methyl-3-oxidanylidene-3-phenyl-propyl)sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2-methyl-3-oxidanylidene-3-phenyl-propyl)sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2-methyl-3-oxo-3-phenyl-propyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(2-methyl-3-oxo-3-phenylpropyl)thio]propanoic acid IUPAC Name: 2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(3-keto-2-methyl-3-phenyl-propyl)thio]propionic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC(C(=O)O)NC(=O)C)C(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CSCC(C(=O)O)NC(=O)C)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H19NO4S/c1-10(14(18)12-6-4-3-5-7-12)8-21-9-13(15(19)20)16-11(2)17/h3-7,10,13H,8-9H2,1-2H3,(H,16,17)(H,19,20)